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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H80O2
Molecular Weight 677.1369
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of STIGMASTERYL OLEATE

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)\C=C\[C@@H](CC)C(C)C

InChI

InChIKey=FBQNVDGEJMFTTK-FPTIKDCHSA-N
InChI=1S/C47H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h16-17,25-27,36-38,40-44H,8-15,18-24,28-35H2,1-7H3/b17-16-,26-25+/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

HIDE SMILES / InChI

Molecular Formula C47H80O2
Molecular Weight 677.1369
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:00:33 GMT 2025
Edited
by admin
on Tue Apr 01 17:00:33 GMT 2025
Record UNII
TE719OVG2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STIGMASTEROL, OLEATE
Preferred Name English
STIGMASTERYL OLEATE
Common Name English
STIGMASTA-5,22-DIEN-3-OL, 3-((9Z)-9-OCTADECENOATE), (3.BETA.,22E)-
Systematic Name English
Code System Code Type Description
FDA UNII
TE719OVG2P
Created by admin on Tue Apr 01 17:00:33 GMT 2025 , Edited by admin on Tue Apr 01 17:00:33 GMT 2025
PRIMARY
PUBCHEM
68531691
Created by admin on Tue Apr 01 17:00:33 GMT 2025 , Edited by admin on Tue Apr 01 17:00:33 GMT 2025
PRIMARY
CAS
31615-93-7
Created by admin on Tue Apr 01 17:00:33 GMT 2025 , Edited by admin on Tue Apr 01 17:00:33 GMT 2025
PRIMARY